Back to Search
Ethylcyclopentane
CAS: 1640-89-7 | C7H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1640-89-7
Molecular Formula:
C7H14
Molecular Mass:
98.19 g/mol
Names and Synonyms:
Ethylcyclopentane
Cyclopentane, ethyl-
Ethylcyclopentane
NSC 74149
Identifiers:
SMILES:
CCC1CCCC1
InChI:
InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3
Key Properties
Boiling Point
103.5 °C
CAS Common Chemistry
Melting Point
-138.4 °C
CAS Common Chemistry
Density
0.76 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.19 g/mol | CAS Common Chemistry |
| 98.18900000000001 g/mol | RDKit | |
| 98.109550448 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7610 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 103.5 °C | CAS Common Chemistry |
| Canonical SMILES | CCC1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IFTRQJLVEBNKJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -138.4 °C | CAS Common Chemistry |
| Name | Ethylcyclopentane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.5866000000000007 | RDKit |
| Molar Refractivity | 32.24899999999998 | RDKit |
